- InChI
- InChI=1S/C15H20O5/c1-2-9-19-14(16)11-18-12-15(17)20-10-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
- InChI Key
- XIUAEJOUYRVVNQ-UHFFFAOYSA-N
- Formula
- C15H20O5
- SMILES
- CCCOC(=O)COCC(=O)OCCc1ccccc1
- Molecular Weight1
- 280.32
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8107 | Relay (1.0) Calculated Property | |
| ΔfG° | -537.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -841.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.742 | Crippen Calculated Property | |
| McVol | 219.200 | ml/mol | McGowan Calculated Property |
| Pc | 1835.69 | kPa | Joback Calculated Property |
| Inp | [2599.00; 2599.00] |
|
|
| Inp | 2599.00 | NIST | |
| Inp | 2599.00 | NIST | |
| Tboil | 623.91 | K | Relay (1.0) Calculated Property |
| Tc | 801.03 | K | Relay (1.0) Calculated Property |
| Tfus | 270.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.817 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.41; 686.34] | J/mol×K | [708.34; 905.86] |
|
| Cp,gas | 611.41 | J/mol×K | 708.34 | Joback Calculated Property |
| Cp,gas | 626.43 | J/mol×K | 741.26 | Joback Calculated Property |
| Cp,gas | 640.43 | J/mol×K | 774.18 | Joback Calculated Property |
| Cp,gas | 653.42 | J/mol×K | 807.10 | Joback Calculated Property |
| Cp,gas | 665.39 | J/mol×K | 840.02 | Joback Calculated Property |
| Cp,gas | 676.36 | J/mol×K | 872.94 | Joback Calculated Property |
| Cp,gas | 686.34 | J/mol×K | 905.86 | Joback Calculated Property |
| η | [0.0000649; 0.0013373] | Pa×s | [392.12; 708.34] |
|
| η | 0.0013373 | Pa×s | 392.12 | Joback Calculated Property |
| η | 0.0005991 | Pa×s | 444.82 | Joback Calculated Property |
| η | 0.0003181 | Pa×s | 497.53 | Joback Calculated Property |
| η | 0.0001907 | Pa×s | 550.23 | Joback Calculated Property |
| η | 0.0001250 | Pa×s | 602.93 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 655.64 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 708.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, phenethyl propyl ester.
Sources
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